(3R)-1-(furan-2-ylmethyl)-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

C19H20N6O3 — CID 96530465

IUPAC(3R)-1-(furan-2-ylmethyl)-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)nn1
InChIInChI=1S/C19H20N6O3/c1-12-5-6-16(22-21-12)25-17(8-13(2)23-25)20-19(27)14-9-18(26)24(10-14)11-15-4-3-7-28-15/h3-8,14H,9-11H2,1-2H3,(H,20,27)/t14-/m1/s1
InChIKeyIZUQVGSBFGQQGW-CQSZACIVSA-N
MW380.41 g/mol
LogP1.86
Rot. Bonds5

About (3R)-1-(furan-2-ylmethyl)-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(furan-2-ylmethyl)-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 96530465) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is (3R)-1-(furan-2-ylmethyl)-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(furan-2-ylmethyl)-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID96530465
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name(3R)-1-(furan-2-ylmethyl)-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)nn1
InChIInChI=1S/C19H20N6O3/c1-12-5-6-16(22-21-12)25-17(8-13(2)23-25)20-19(27)14-9-18(26)24(10-14)11-15-4-3-7-28-15/h3-8,14H,9-11H2,1-2H3,(H,20,27)/t14-/m1/s1
InChIKeyIZUQVGSBFGQQGW-CQSZACIVSA-N
XLogP1.86
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
(3S)-N-(4-fluoro-2-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 8864389
(3S)-N-(4-bromo-3-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9095963
N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55341921
N'-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232608
N-(2,6-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 113183148
(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
N-(3-acetylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 18077896
N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 17390517
(3S)-1-(furan-2-ylmethyl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 41200996

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(furan-2-ylmethyl)-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(furan-2-ylmethyl)-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 96530465) is (3R)-1-(furan-2-ylmethyl)-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(furan-2-ylmethyl)-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(furan-2-ylmethyl)-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)nn1.
What is the InChIKey of (3R)-1-(furan-2-ylmethyl)-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IZUQVGSBFGQQGW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-12-5-6-16(22-21-12)25-17(8-13(2)23-25)20-19(27)14-9-18(26)24(10-14)11-15-4-3-7-28-15/h3-8,14H,9-11H2,1-2H3,(H,20,27)/t14-/m1/s1.
What are the key properties of (3R)-1-(furan-2-ylmethyl)-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(furan-2-ylmethyl)-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(furan-2-ylmethyl)-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 96530465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).